Crystallography Open Database

Information card for entry 4503944

Preview

Coordinates	4503944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl Cu3 N20 O331
Calculated formula	C17 H21 Cl Cu3 N10 O3.31
Title of publication	The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels
Authors of publication	Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	4
Pages of publication	676
a	8.889 ± 0.002 Å
b	8.91 ± 0.002 Å
c	16.624 ± 0.004 Å
α	79.859 ± 0.006°
β	76.747 ± 0.006°
γ	66.467 ± 0.006°
Cell volume	1169.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179574 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/39.	4503944.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503944.cif
44834	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503944, 4503945, 4503946 via cif-deposit CGI script.	4503944.cif